Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.4 BDBM50266208

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50266208 ((R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-me...) Show SMILES COc1ccc(CSC[C@H](NC(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C15H21NO4S2/c1-10(7-21)14(17)16-13(15(18)19)9-22-8-11-3-5-12(20-2)6-4-11/h3-6,10,13,21H,7-9H2,1-2H3,(H,16,17)(H,18,19)/t10-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of angiotensin-converting enzyme (unknown origin) in whole blood by HPLC				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266208 ((R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-me...) Show SMILES COc1ccc(CSC[C@H](NC(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C15H21NO4S2/c1-10(7-21)14(17)16-13(15(18)19)9-22-8-11-3-5-12(20-2)6-4-11/h3-6,10,13,21H,7-9H2,1-2H3,(H,16,17)(H,18,19)/t10-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair